Chemical ID: 6135750

c1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)N
Chemical ID:
6135750
Name [?]:
3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)N
InChi [?]:
InChI=1/C18H16FN3O2S/c19-13-6-8-14(9-7-13)21-18-22(11-12-4-2-1-3-5-12)16(23)10-15(25-18)17(20)24/h1-9,15H,10-11H2,(H2,20,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,20,17,21,11,7,4,19,16,12,9,23,14,22,25,15,8,10,24,13/E:(2,3)(4,5)(6,7)(8,9)/rA:25cCCCCCCCNCOCCSCNCCCCCCFCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s8s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s12;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16FN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:8.6776
Area:522.747
Solvation:-4.39107
Coulombic:-50.8229
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:357.403
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.65
LogP (Chemaxon):3.39

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Descriptor Annotations

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